New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

B. Baell, Jonathan; A. Holloway, Georgina

doi:10.1021/jm901137j

Public

New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

Published in Journal of Medicinal Chemistry • Feb 4, 2010

Authors:

Jonathan B. Baell

Georgina A. Holloway

Abstract

This report describes a number of substructural features which can help to identify compounds that appear as frequent hitters (promiscuous compounds) in many biochemical high throughput screens. The compounds identified by such substructural features are not recognized by filters commonly used to id...

Subject

Chemistry

Bioassay

High-throughput screening

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